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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proline derivative > lsm-14463

Preferred term

lsm-14463  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H42N4O4

inchi

  • InChI=1S/C32H42N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(25-13-8-9-14-26(25)35(30)5)24-12-7-6-11-23(24)20-40-28(21)18-34(4)31(38)27-15-10-16-33(27)3/h6-9,11-14,21-22,27-28,37H,10,15-20H2,1-5H3/t21-,22+,27-,28+/m0/s1

inchikey

  • QNPXTRYBNJAKIP-ICLSSZMYSA-N

mass

  • 546.701

monoisotopicmass

  • 546.32061

smiles

  • C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H]4CCCN4C)C5=CC=CC=C5N2C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103118

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